2-[chloro-(1-phenylcyclopropyl)methyl]-1-ethoxy-4-methylbenzene

C19H21ClO — CID 63447962

IUPAC2-[chloro-(1-phenylcyclopropyl)methyl]-1-ethoxy-4-methylbenzene
SMILESCCOc1ccc(C)cc1C(Cl)C1(c2ccccc2)CC1
InChIInChI=1S/C19H21ClO/c1-3-21-17-10-9-14(2)13-16(17)18(20)19(11-12-19)15-7-5-4-6-8-15/h4-10,13,18H,3,11-12H2,1-2H3
InChIKeyQPWLVZFPHSAXPA-UHFFFAOYSA-N
MW300.83 g/mol
LogP5.41
Rot. Bonds5

About 2-[chloro-(1-phenylcyclopropyl)methyl]-1-ethoxy-4-methylbenzene

2-[chloro-(1-phenylcyclopropyl)methyl]-1-ethoxy-4-methylbenzene (PubChem CID 63447962) has the molecular formula C19H21ClO and a molecular weight of 300.83 g/mol. Its IUPAC name is 2-[chloro-(1-phenylcyclopropyl)methyl]-1-ethoxy-4-methylbenzene.

Molecular Properties

Compound Name2-[chloro-(1-phenylcyclopropyl)methyl]-1-ethoxy-4-methylbenzene
PubChem CID63447962
Molecular FormulaC19H21ClO
Molecular Weight300.83 g/mol
Exact Mass300.13
IUPAC Name2-[chloro-(1-phenylcyclopropyl)methyl]-1-ethoxy-4-methylbenzene
SMILESCCOc1ccc(C)cc1C(Cl)C1(c2ccccc2)CC1
InChIInChI=1S/C19H21ClO/c1-3-21-17-10-9-14(2)13-16(17)18(20)19(11-12-19)15-7-5-4-6-8-15/h4-10,13,18H,3,11-12H2,1-2H3
InChIKeyQPWLVZFPHSAXPA-UHFFFAOYSA-N
XLogP5.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.83
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2-ethoxyphenyl)-(1-phenylcyclopropyl)methanol
CID 63079301
2-(1-chloropropyl)-1-ethoxy-4-methylbenzene
CID 62302672
2-(1-chloro-2-methyl-2-phenylpropyl)-1-ethoxy-4-methylbenzene
CID 63444274
(1R)-1-(2-ethoxy-5-methylphenyl)ethanol
CID 63364902
2-(2-methoxy-5-methylphenyl)-1-(1-phenylcyclopropyl)ethanol
CID 63078954
2-[chloro-(2-methylsulfanylphenyl)methyl]-1-ethoxy-4-methylbenzene
CID 79206729
2-(4-chlorobutan-2-yl)-1-ethoxy-4-methylbenzene
CID 83933609
1-[chloro-(1-phenylcyclopropyl)methyl]-2,4-difluoro-5-methylbenzene
CID 79730806
2-[chloro(cyclopentyl)methyl]-1-ethoxy-4-methylbenzene
CID 63447510
(2-ethoxyphenyl)-(1-phenylcyclobutyl)methanamine
CID 63079875
(2S)-2-amino-2-(2-ethoxy-5-methylphenyl)acetic acid
CID 7016959
1-(2-ethoxy-5-methylphenyl)-2-methyl-2-phenylpropan-1-ol
CID 62301322

Frequently Asked Questions

What is the IUPAC name of 2-[chloro-(1-phenylcyclopropyl)methyl]-1-ethoxy-4-methylbenzene?
The IUPAC name of 2-[chloro-(1-phenylcyclopropyl)methyl]-1-ethoxy-4-methylbenzene (CID 63447962) is 2-[chloro-(1-phenylcyclopropyl)methyl]-1-ethoxy-4-methylbenzene.
What is the SMILES notation for 2-[chloro-(1-phenylcyclopropyl)methyl]-1-ethoxy-4-methylbenzene?
The canonical SMILES for 2-[chloro-(1-phenylcyclopropyl)methyl]-1-ethoxy-4-methylbenzene is CCOc1ccc(C)cc1C(Cl)C1(c2ccccc2)CC1.
What is the InChIKey of 2-[chloro-(1-phenylcyclopropyl)methyl]-1-ethoxy-4-methylbenzene?
The InChIKey is QPWLVZFPHSAXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClO/c1-3-21-17-10-9-14(2)13-16(17)18(20)19(11-12-19)15-7-5-4-6-8-15/h4-10,13,18H,3,11-12H2,1-2H3.
What are the key properties of 2-[chloro-(1-phenylcyclopropyl)methyl]-1-ethoxy-4-methylbenzene?
2-[chloro-(1-phenylcyclopropyl)methyl]-1-ethoxy-4-methylbenzene has a molecular weight of 300.83 g/mol, XLogP of 5.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro-(1-phenylcyclopropyl)methyl]-1-ethoxy-4-methylbenzene is sourced from PubChem (CID 63447962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).